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1AVM
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BU of 1avm by Molmil
THE CAMBIALISTIC SUPEROXIDE DISMUTASE (FE-SOD) OF P. SHERMANII COORDINATED BY AZIDE
Descriptor: AZIDE ION, FE (III) ION, SUPEROXIDE DISMUTASE
Authors:Schmidt, M, Parak, F.
Deposit date:1997-09-17
Release date:1998-03-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Structure of the Azide Coordinated Superoxide Dismutase of P. Shermanii Investigated by X-Ray Structure Analysis, Exafs, Mossbauer-and Epr Spectroscopy
Inorg.Chim.Acta., 275-276, 1998
3U3G
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BU of 3u3g by Molmil
Structure of LC11-RNase H1 Isolated from Compost by Metagenomic Approach: Insight into the Structural Bases for Unusual Enzymatic Properties of Sto-RNase H1
Descriptor: CHLORIDE ION, Ribonuclease H, UNKNOWN LIGAND
Authors:Nguyen, T.N, Angkawidjaja, C, Kanaya, E, Koga, Y, Takano, K, Kanaya, S.
Deposit date:2011-10-05
Release date:2012-03-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Activity, stability, and structure of metagenome-derived LC11-RNase H1, a homolog of Sulfolobus tokodaii RNase H1
Protein Sci., 21, 2012
6IJO
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BU of 6ijo by Molmil
Photosystem I of Chlamydomonas reinhardtii
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Pan, X, Ma, J, Su, X, Liu, Z, Zhang, X, Li, M.
Deposit date:2018-10-10
Release date:2019-03-20
Last modified:2019-05-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Antenna arrangement and energy transfer pathways of a green algal photosystem-I-LHCI supercomplex.
Nat Plants, 5, 2019
3TMG
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BU of 3tmg by Molmil
Crystal structure of Glycine betaine, L-proline ABC transporter, glycine/betaine/L-proline-binding protein (ProX) from Borrelia burgdorferi
Descriptor: 1,2-ETHANEDIOL, Glycine betaine, L-proline ABC transporter, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-08-31
Release date:2011-09-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Glycine betaine, L-proline ABC transporter, glycine/betaine/L-proline-binding protein (ProX) from Borrelia burgdorferi
To be Published
1ZNW
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BU of 1znw by Molmil
Crystal Structure Of Unliganded Form Of Mycobacterium tuberculosis Guanylate Kinase
Descriptor: Guanylate kinase
Authors:Hible, G, Christova, P, Renault, L, Seclaman, E, Thompson, A, Girard, E, Munier-Lehmann, H, Cherfils, J.
Deposit date:2005-05-12
Release date:2005-11-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Unique GMP-binding site in Mycobacterium tuberculosis guanosine monophosphate kinase
Proteins, 62, 2006
4JEX
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BU of 4jex by Molmil
Y21K mutant of N-acetylornithine aminotransferase complexed with L-canaline
Descriptor: (2S)-2-azanyl-4-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxy-butanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Bisht, S, Bharath, S.R, Murthy, M.R.N.
Deposit date:2013-02-27
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Conformational transitions, ligand specificity and catalysis in N-acetylornithine aminotransferase: Implications on drug designing and rational enzyme engineering in omega aminotransferases
To be Published
4NXS
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BU of 4nxs by Molmil
Crystal structure of human alpha-galactosidase A in complex with 1-deoxygalactonojirimycin-pFPhT
Descriptor: (2R,3S,4R,5S)-N-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Johnson, J.L, Drury, J.E, Lieberman, R.L.
Deposit date:2013-12-09
Release date:2014-06-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5493 Å)
Cite:Molecular Basis of 1-Deoxygalactonojirimycin Arylthiourea Binding to Human alpha-Galactosidase A: Pharmacological Chaperoning Efficacy on Fabry Disease Mutants.
Acs Chem.Biol., 9, 2014
4JEZ
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BU of 4jez by Molmil
N79R mutant of N-acetylornithine aminotransferase complexed with L-canaline
Descriptor: (2S)-2-azanyl-4-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxy-butanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Bisht, S, Bharath, S.R, Murthy, M.R.N.
Deposit date:2013-02-27
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Conformational transitions, ligand specificity and catalysis in N-acetylornithine aminotransferase: Implications on drug designing and rational enzyme engineering in omega aminotransferases
To be Published
5ZXA
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BU of 5zxa by Molmil
Crystal structure of fibronectin-binding protein Apa mutant from Mycobacterium tuberculosis
Descriptor: Alanine and proline-rich secreted protein Apa, GLYCEROL, MERCURY (II) ION
Authors:Gao, J, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-05-18
Release date:2019-05-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Functional and structural investigations of fibronectin-binding protein Apa from Mycobacterium tuberculosis.
Biochim Biophys Acta Gen Subj, 1863, 2019
4J50
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BU of 4j50 by Molmil
Crystal Structure of an Expanded RNA CAG Repeat
Descriptor: PHOSPHATE ION, RNA (5'-R(*UP*UP*GP*GP*GP*CP*CP*AP*GP*CP*AP*GP*CP*AP*GP*GP*UP*CP*C)-3')
Authors:Park, H, Disney, M.D.
Deposit date:2013-02-07
Release date:2013-02-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A dynamic structural model of expanded RNA CAG repeats: a refined X-ray structure and computational investigations using molecular dynamics and umbrella sampling simulations.
J.Am.Chem.Soc., 135, 2013
6IF6
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BU of 6if6 by Molmil
Structure of the periplasmic domain of SflA
Descriptor: GLYCEROL, PHOSPHATE ION, Protein SflA
Authors:Nishikawa, S, Sakuma, M, Kojima, S, Homma, M, Imada, K.
Deposit date:2018-09-18
Release date:2019-05-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the periplasmic domain of SflA involved in spatial regulation of the flagellar biogenesis of Vibrio reveals a TPR/SLR-like fold.
J.Biochem., 166, 2019
4O69
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BU of 4o69 by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with sulfate ion
Descriptor: Cyclic GMP-AMP synthase, SULFATE ION, ZINC ION
Authors:Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J.
Deposit date:2013-12-20
Release date:2014-02-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop.
Cell Rep, 6, 2014
4O6A
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BU of 4o6a by Molmil
Mouse cyclic GMP-AMP synthase (cGAS) in complex with DNA
Descriptor: Cyclic GMP-AMP synthase, DNA1, DNA2, ...
Authors:Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J.
Deposit date:2013-12-20
Release date:2014-02-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop.
Cell Rep, 6, 2014
6AAM
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BU of 6aam by Molmil
Crystal structure of TYK2 in complex with peficitinib
Descriptor: 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Nomura, N, Tomimoto, Y.
Deposit date:2018-07-18
Release date:2018-08-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor
Bioorg. Med. Chem., 26, 2018
4C5P
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BU of 4c5p by Molmil
The structure of mycobacterium marinum arylamine n-acetyltransferase
Descriptor: ARYLAMINE N-ACETYLTRANSFERASE, AZIDE ION, GLYCEROL, ...
Authors:Abuhammad, A, Lowe, E.D, Garman, E.F, Sim, E.
Deposit date:2013-09-13
Release date:2013-10-02
Last modified:2013-10-09
Method:X-RAY DIFFRACTION (1.592 Å)
Cite:Arylamine N-Acetyltransferases from Mycobacteria: Investigations of a Potential Target for Anti- Tubercular Therapy
Ph D Thesis
3P82
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BU of 3p82 by Molmil
H184N mutant of pentaerythritol tetranitrate reductase containing bound acetate ion
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Toogood, H.S, Scrutton, N.S.
Deposit date:2010-10-13
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Site-Saturated Mutagenesis Study of Pentaerythritol Tetranitrate Reductase Reveals that Residues 181 and 184 Influence Ligand Binding, Stereochemistry and Reactivity.
Chembiochem, 12, 2011
5ZX9
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BU of 5zx9 by Molmil
Crystal structure of apo form fibronectin-binding protein Apa from Mycobacterium tuberculosis
Descriptor: Alanine and proline-rich secreted protein Apa, GLYCEROL
Authors:Gao, J, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-05-18
Release date:2019-05-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Functional and structural investigations of fibronectin-binding protein Apa from Mycobacterium tuberculosis.
Biochim Biophys Acta Gen Subj, 1863, 2019
3P80
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BU of 3p80 by Molmil
Pentaerythritol tetranitrate reductase co-crystal structure containing bound (E)-1-(3'-hydroxyphenyl)-2-nitroethene
Descriptor: 3-[(E)-2-nitroethenyl]phenol, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Toogood, H.S, Scrutton, N.S.
Deposit date:2010-10-13
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A Site-Saturated Mutagenesis Study of Pentaerythritol Tetranitrate Reductase Reveals that Residues 181 and 184 Influence Ligand Binding, Stereochemistry and Reactivity.
Chembiochem, 12, 2011
6A87
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BU of 6a87 by Molmil
Pholiota squarrosa lectin (PhoSL) in complex with fucose(alpha1-6)GlcNAc
Descriptor: METHANETHIOL, alpha-L-fucopyranose, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yamasaki, K, Yamasaki, T, Kubota, T.
Deposit date:2018-07-06
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural basis for specific recognition of core fucosylation in N-glycans by Pholiota squarrosa lectin (PhoSL).
Glycobiology, 29, 2019
4JGL
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BU of 4jgl by Molmil
Crystal structure of a streptavidin-like protein (BACEGG_01519) from Bacteroides eggerthii DSM 20697 at 1.25 A resolution
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, UNKNOWN LIGAND, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-03-01
Release date:2013-04-03
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of a hypothetical protein (BACEGG_01519) from Bacteroides eggerthii DSM 20697 at 1.25 A resolution
To be published
4OOZ
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BU of 4ooz by Molmil
Crystal structure of beta-1,4-D-mannanase from Cryptopygus antarcticus in complex with mannopentaose
Descriptor: Beta-1,4-mannanase, beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, ...
Authors:Kim, M.-K, An, Y.J, Jeong, C.-S, Cha, S.-S.
Deposit date:2014-02-04
Release date:2014-08-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based investigation into the functional roles of the extended loop and substrate-recognition sites in an endo-beta-1,4-d-mannanase from the Antarctic springtail, Cryptopygus antarcticus.
Proteins, 82, 2014
3TSN
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BU of 3tsn by Molmil
4-hydroxythreonine-4-phosphate dehydrogenase from Campylobacter jejuni
Descriptor: 4-hydroxythreonine-4-phosphate dehydrogenase, NICKEL (II) ION, UNKNOWN LIGAND
Authors:Osipiuk, J, Gu, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-09-13
Release date:2011-10-12
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:4-hydroxythreonine-4-phosphate dehydrogenase from Campylobacter jejuni.
To be Published
6AAH
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BU of 6aah by Molmil
Crystal structure of JAK1 in complex with peficitinib
Descriptor: 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Tyrosine-protein kinase JAK1
Authors:Amano, Y.
Deposit date:2018-07-18
Release date:2018-08-15
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor
Bioorg. Med. Chem., 26, 2018
3TSM
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BU of 3tsm by Molmil
Crystal structure of Indole-3-glycerol phosphate synthase from Brucella melitensis
Descriptor: GLYCEROL, Indole-3-glycerol phosphate synthase, SULFATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-13
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of Indole-3-glycerol phosphate synthase from Brucella melitensis
To be Published
6AAK
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BU of 6aak by Molmil
Crystal structure of JAK3 in complex with peficitinib
Descriptor: 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Tyrosine-protein kinase JAK3
Authors:Amano, Y.
Deposit date:2018-07-18
Release date:2018-08-15
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor
Bioorg. Med. Chem., 26, 2018

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